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Computational Biomolecular Science Program

Organized by Peter G. Wolynes, Russell Doolittle, and J. A. McCammon

September 11-13, 1997
Irvine, CA

Friday, September 12

Session I
Russell Doolittle, Chair

Peter Wolynes
Introduction

Measuring genome evolution
Peer Bork, EMBL, Heidelberg

Determining biological function from sequence:Building highly specific sequence motifs for genome analysis
Douglas Brutlag, Stanford

Experimental studies of protein folding dynamics
William Eaton, NIH

Coupling the folding of homologous proteins
Ron Elber, Hebrew University

Session II
Andrew McCammon, Chair

Photoactive yellow protein: Prototype for the PAS domains of sensors and clocks
Elizabeth Getzoff, Scripps Research Institute

Inhomogeneities in genomic sequence composition
Philip Green, University of Washington

New refinement methods for NOE-distance based NMR structure
Angela Gronenborn, NIH

Estimation of evolutionary distances between DNA sequences
Wen-Hsiung Li, University of Texas, Houston

After-dinner Lecture
From slide rule to super computer, Hans Frauenfelder, Los Alamos

Saturday, September 13

Session III
Andrew McCammon, Chair

Comparing Sequence Comparison with Structure Comparison
Michael Levitt, Stanford University

Structural classification of proteins and its evolutionary implications
Alexey Murzin, MRC, Cambridge University

Exploring the protein folding funnel landscape - connection to fast folding experiments
Jose Onuchic, University of California, San Diego

Bridged bimetallic enzymes: A challenge for computational chemistry
Gregory Petsko, Brandeis University

Session IV
Peter Wolynes, Chair


Robert Sauer, MIT

The evolution of efficient light harvesting in photosynthesis - one goal, many solutions
Klaus Schulten, University of Illinois

Electrostatic steering and ionic tethering in simulations of protein-ligand interactions
Rebecca Wade, EMBL, Heidelberg University

Computer simulation of enzymatic reactions and other biological process; Finding out what was optimized by evolution
Arieh Warshel, University of Southern California

After-dinner Lecture
Applications of computers in structural biology, Harold Scheraga, Cornell University

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